CID 10598104

6-fluoro-1-(1-naphthyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid

Structural Information

Molecular Formula
C23H19FN4O3
SMILES
C1CN(CCN1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=CC=CC5=CC=CC=C54)C(=O)O)F
InChI
InChI=1S/C23H19FN4O3/c24-18-12-16-20(29)17(23(30)31)13-28(19-7-3-5-14-4-1-2-6-15(14)19)21(16)26-22(18)27-10-8-25-9-11-27/h1-7,12-13,25H,8-11H2,(H,30,31)
InChIKey
OURYXHIHCUHFGU-UHFFFAOYSA-N
Compound name
6-fluoro-1-naphthalen-1-yl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1441 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.15138 201.9
[M+Na]+ 441.13332 210.3
[M-H]- 417.13682 204.1
[M+NH4]+ 436.17792 206.2
[M+K]+ 457.10726 201.0
[M+H-H2O]+ 401.14136 187.8
[M+HCOO]- 463.14230 210.5
[M+CH3COO]- 477.15795 207.9
[M+Na-2H]- 439.11877 204.5
[M]+ 418.14355 197.5
[M]- 418.14465 197.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.